Ethyl 2-chloro-5-fluoro-3-pyridinecarboxylate

C₈H₇ClFNO₂CAS 139911-30-1203.60 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₈H₇ClFNO₂
Molar mass: 203.60 g/mol
Exact mass: 203.0149 Da
logP: 2.05Crippen estimate
Polar surface area: 39.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Identifiers

CAS number

139911-30-1

SMILES

CCOC(=O)c1cc(F)cnc1Cl

InChIKey

ZCQJBYHGMYTQAO-UHFFFAOYSA-N

InChI

InChI=1S/C8H7ClFNO2/c1-2-13-8(12)6-3-5(10)4-11-7(6)9/h3-4H,2H2,1H3

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Names and synonyms

3 names

3-Pyridinecarboxylic acid, 2-chloro-5-fluoro-, ethyl ester
2-Chloro-5-fluoronicotinic acid ethyl ester
Ethyl 2-chloro-5-fluoronicotinate

Work with Ethyl 2-chloro-5-fluoro-3-pyridinecarboxylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethyl 2,4-dichloro-5-pyrimidinecarboxylate51940-64-857 % similar 2-Chloro-5-fluoronicotinic acid38186-88-853 % similar Ethyl 2,4-difluorobenzoate108928-00-351 % similar Ethyl 4-chloro-2-(methylthio)-5-pyrimidinecarboxylate5909-24-051 % similar Ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate144927-57-150 % similar Ethyl 3-fluorobenzoate451-02-550 % similar 2-Chloro-5-(ethoxycarbonyl)pyrimidine89793-12-449 % similar Ethyl o-chlorobenzoate7335-25-348 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Methyl 2-amino-4-chloro-5-fluorobenzoate104901-79-3

Elsewhere

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